(5-methoxynaphthalen-1-yl)methanamine

C12H13NO — CID 59401298

IUPAC(5-methoxynaphthalen-1-yl)methanamine
SMILESCOc1cccc2c(CN)cccc12
InChIInChI=1S/C12H13NO/c1-14-12-7-3-5-10-9(8-13)4-2-6-11(10)12/h2-7H,8,13H2,1H3
InChIKeyXLFWSAFIHRKZHH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.31
Rot. Bonds2

About (5-methoxynaphthalen-1-yl)methanamine

(5-methoxynaphthalen-1-yl)methanamine (PubChem CID 59401298) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (5-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-methoxynaphthalen-1-yl)methanamine
PubChem CID59401298
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(5-methoxynaphthalen-1-yl)methanamine
SMILESCOc1cccc2c(CN)cccc12
InChIInChI=1S/C12H13NO/c1-14-12-7-3-5-10-9(8-13)4-2-6-11(10)12/h2-7H,8,13H2,1H3
InChIKeyXLFWSAFIHRKZHH-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methoxynaphthalen-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
CID 117052036
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790

Frequently Asked Questions

What is the IUPAC name of (5-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (5-methoxynaphthalen-1-yl)methanamine (CID 59401298) is (5-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (5-methoxynaphthalen-1-yl)methanamine is COc1cccc2c(CN)cccc12.
What is the InChIKey of (5-methoxynaphthalen-1-yl)methanamine?
The InChIKey is XLFWSAFIHRKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-7-3-5-10-9(8-13)4-2-6-11(10)12/h2-7H,8,13H2,1H3.
What are the key properties of (5-methoxynaphthalen-1-yl)methanamine?
(5-methoxynaphthalen-1-yl)methanamine has a molecular weight of 187.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 59401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).